1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol

C16H23FN2O — CID 71783303

IUPAC1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(Cc2cccc(F)c2)CC1)C1CC1
InChIInChI=1S/C16H23FN2O/c17-15-3-1-2-13(10-15)11-18-6-8-19(9-7-18)12-16(20)14-4-5-14/h1-3,10,14,16,20H,4-9,11-12H2
InChIKeySZZRDQFESYCAMM-UHFFFAOYSA-N
MW278.37 g/mol
LogP1.71
Rot. Bonds5

About 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol

1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 71783303) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID71783303
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(Cc2cccc(F)c2)CC1)C1CC1
InChIInChI=1S/C16H23FN2O/c17-15-3-1-2-13(10-15)11-18-6-8-19(9-7-18)12-16(20)14-4-5-14/h1-3,10,14,16,20H,4-9,11-12H2
InChIKeySZZRDQFESYCAMM-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
(3R,4R)-1-[(4-fluorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 449639
[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
1-Benzylpiperidin-4-ol
CID 78461
(1-Benzylpiperidin-4-yl)methanol
CID 736802
trans-1-(4-Fluorobenzyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 9999116
2-[4-Cyclobutyl-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
CID 23723610
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761
2-[Benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol
CID 757598
2-[Benzyl(2-fluorobenzyl)amino]ethanol
CID 783283
2-[(3-Fluorophenyl)methyl-(phenylmethyl)amino]ethanol
CID 783344

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol (CID 71783303) is 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol is OC(CN1CCN(Cc2cccc(F)c2)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is SZZRDQFESYCAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-3-1-2-13(10-15)11-18-6-8-19(9-7-18)12-16(20)14-4-5-14/h1-3,10,14,16,20H,4-9,11-12H2.
What are the key properties of 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol?
1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 278.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 71783303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).